6-methyl-6-(pentanoylamino)cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-methyl-6-(pentanoylamino)cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-methyl-6-(pentanoylamino)cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-methyl-6-(1-oxopentylamino)-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-methyl-6-(pentanoylamino)cyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-methyl-6-(valerylamino)cyclohexa-2,4-diene-1-carboxylate Formula: C13H18NO3- MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1(C=CC=CC1C(=O)[O-])C

Isomeric SMILES

CCCCC(=O)NC1(C=CC=CC1C(=O)[O-])C

InChI

InChI=1S/C13H19NO3/c1-3-4-8-11(15)14-13(2)9-6-5-7-10(13)12(16)17/h5-7,9-10H,3-4,8H2,1-2H3,(H,14,15)(H,16,17)/p-1